SCHEMBL5952386

SCHEMBL5952386

CCC(O)n1cnc2cc(OC)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.49
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3B P49841 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HCAR3 P49019 1/20 0.40
KDR P35968 1/20 0.39
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19848232 0.84 FGFR1 (0.50) FGFR1TDP1SMN1; SMN2HPGDMAPT
SCHEMBL5951859 0.84 FGFR1 (0.52) FGFR1TDP1SMN1; SMN2HPGDMAPT
SCHEMBL18937429 0.80 FGFR1 (0.55) FGFR1TDP1SMN1; SMN2HPGDMAPT
SCHEMBL4700068 0.80 FGFR1 (0.49) FGFR1TDP1SMN1; SMN2HPGDMAPT
SCHEMBL14740086 0.75 HSD17B10 (0.54) TDP1SMN1; SMN2HPGDMAPTTSHR
SCHEMBL6758619 0.74 NPC1 (0.65) FGFR1TDP1SMN1; SMN2HPGDMAPT
SCHEMBL19848311 0.72 ALDH1A1 (0.50) FGFR1TDP1HPGDMAPTALDH1A1
SCHEMBL21991654 0.72 ALDH1A1 (0.50) FGFR1TDP1HPGDMAPTALDH1A1
SCHEMBL19848077 0.72 MAPT (0.65) FGFR1TDP1SMN1; SMN2HPGDMAPT
SCHEMBL230452 0.72 FGFR1 (0.59) FGFR1TDP1SMN1; SMN2HPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 FGFR1 583/4885TDP1 2680/4885SMN1; SMN2 4210/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FGFR1 254/4885TDP1 1498/4885SMN1; SMN2 3516/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.